HIT ID: HIT100428134

Cas No: 1007884-60-7

分子式: C33H39N7O3

分子量: 581.721

常用名: Monodes(N-carboxymethyl)valine Daclatasvir

氢键受体数 (HBA): 8

氢键供体数 (HBD): 4

LogP: 2.6702

IUPAC: methyl N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[5-(4'-{2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl}-[1,1'-biphenyl]-4-yl)-1H-imidazol-2-yl]pyrrolidin-1-yl]butan-2-yl]carbamate

SMILES: COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1ncc([nH]1)-c1ccc(cc1)-c1ccc(cc1)-c1cnc([nH]1)[C@@H]1CCCN1

InChI key: BHLPGQSNBFUPQA-FMYROPPKSA-N